ethyl 6-bromo-5-hydroxypyridine-2-carboxylate

C8H8BrNO3 — CID 117272848

IUPACethyl 6-bromo-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(O)c(Br)n1
InChIInChI=1S/C8H8BrNO3/c1-2-13-8(12)5-3-4-6(11)7(9)10-5/h3-4,11H,2H2,1H3
InChIKeyXKJSXERPOVBOFF-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.73
Rot. Bonds2

About ethyl 6-bromo-5-hydroxypyridine-2-carboxylate

ethyl 6-bromo-5-hydroxypyridine-2-carboxylate (PubChem CID 117272848) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is ethyl 6-bromo-5-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-5-hydroxypyridine-2-carboxylate
PubChem CID117272848
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Nameethyl 6-bromo-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(O)c(Br)n1
InChIInChI=1S/C8H8BrNO3/c1-2-13-8(12)5-3-4-6(11)7(9)10-5/h3-4,11H,2H2,1H3
InChIKeyXKJSXERPOVBOFF-UHFFFAOYSA-N
XLogP1.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096834
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 5-bromo-6-oxo-1H-pyrazine-3-carboxylate
CID 117272850
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
ethyl 1-bromo-2,7-naphthyridine-3-carboxylate
CID 71748439
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 6-methyl-5-(2-methylprop-1-enyl)pyridine-2-carboxylate
CID 67026997
ethyl 6-(bromomethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441065

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-5-hydroxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-5-hydroxypyridine-2-carboxylate (CID 117272848) is ethyl 6-bromo-5-hydroxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-5-hydroxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-5-hydroxypyridine-2-carboxylate is CCOC(=O)c1ccc(O)c(Br)n1.
What is the InChIKey of ethyl 6-bromo-5-hydroxypyridine-2-carboxylate?
The InChIKey is XKJSXERPOVBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-2-13-8(12)5-3-4-6(11)7(9)10-5/h3-4,11H,2H2,1H3.
What are the key properties of ethyl 6-bromo-5-hydroxypyridine-2-carboxylate?
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate has a molecular weight of 246.06 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-5-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 117272848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).